Sugi Predict

Sugi Predict / Compounds / SCHEMBL349256

SCHEMBL349256

SCHEMBL349256

CCCCC(N)(CCCC)COS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 3/20 0.38
▸ CA1 P00915 10/20 0.36
▸ CA2 P00918 10/20 0.36
▸ CA9 Q16790 8/20 0.35
▸ CA12 O43570 3/20 0.34
▸ CA7 P43166 3/20 0.34
▸ CA14 Q9ULX7 3/20 0.34
▸ CA3 P07451 2/20 0.34
▸ CA4 P22748 2/20 0.34
▸ CA6 P23280 2/20 0.34
▸ CA5A P35218 2/20 0.34
▸ CA5B Q9Y2D0 2/20 0.34
▸ SMPD1 P17405 4/20 0.33
▸ TP53 P04637 1/20 0.33
▸ S1PR1 P21453 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6843768 0.94 FDPS (0.37) FDPSCA1CA2CA9CA12
SCHEMBL7463702 0.94 FDPS (0.37) FDPSCA1CA2CA9CA12
SCHEMBL3600608 0.81 FDPS (0.39) FDPSCA1CA2CA9CA12
SCHEMBL11652653 0.81 CA1 (0.33) CA1CA2CA9
SCHEMBL1486848 0.80 FDPS (0.41) FDPSCA1CA2CA9CA12
SCHEMBL349257 0.79 RECQL (0.44) FDPSCA1CA2CA9CA12
Sulfuric Acid SCHEMBL3118006 0.79 FDPS (0.46) FDPSCA1CA2CA9SMPD1
SCHEMBL13997141 0.79 CA2 (0.33) CA1CA2CA9CA7CA4
SCHEMBL17506156 0.78 CA1 (0.38) FDPSCA1CA2CA9CA12
Ammonia Solution, Strong SCHEMBL28772226 0.78 CA1 (0.33) FDPSCA1CA2CA9CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563122-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2016-06-08 — — EP disclosed
US-9040518-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2015-05-26 — — US disclosed
US-9040518-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2015-05-26 — — US disclosed
US-20130029938-A1 Chemical Compounds GLAXOSMITHKLINE LLC (US) 2013-01-31 — — US disclosed
US-20130029938-A1 Chemical Compounds GLAXOSMITHKLINE LLC (US) 2013-01-31 — — US disclosed
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 — — EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 — — US disclosed
WO-2011137135-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 — — WO disclosed
EP-1535913-B1 NOVEL QUATERNARY AMMONIUM COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2011-11-02 — — EP disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 — — US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 — — US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 — — US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 — — US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 — — EP disclosed
CN-1678597-A Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORP (JP) 2005-10-05 — — CN disclosed
EP-1535913-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2005-06-01 — — EP disclosed
US-20050009805-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-13 — — US disclosed
US-20040077625-A1 Novel 1,4-benzothiazepine and 1,5-benzothiazepine compounds as inhibitors of apical sodium codependent bile acid transport abd taurocholate uptake PHARMACIA CORPORATION 2004-04-22 — — US disclosed
US-20020183307-A1 Novel 1,4-benzothiazephine and 1,5-benzothiazepine compounds as inhibitors of apical sodium co-dependent bile acid transport and taurocholate uptake G.D. SEARLE LLC 2002-12-05 — — US disclosed
WO-2002008211-A2 BENZOTHIAZEPINES AND THEIR USE AS ANTIHYPERLIPIDEMICS G.D. SEARLE, LLC. (US) 2002-01-31 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040077625-A1 Novel 1,4-benzothiazepine and 1,5-benzothiazepine compounds as inhibitors of apical sodium codependent bile acid transport abd taurocholate uptake SLC10A1, ABCB11, SLC10A2 FDPS 1791/4885CA1 1326/4885CA2 569/4885
US-20020183307-A1 Novel 1,4-benzothiazephine and 1,5-benzothiazepine compounds as inhibitors of apical sodium co-dependent bile acid transport and taurocholate uptake SLC10A1, SLC10A2, ABCB11 FDPS 2843/4885CA1 1123/4885CA2 406/4885
US-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 FDPS 1212/4885CA1 1240/4885CA2 545/4885
US-20130029938-A1 Chemical Compounds CYP11B1, GOT2, CYP11B2 FDPS 247/4885CA1 1102/4885CA2 1115/4885
US-20050009805-A1 Novel quaternary ammonium compounds SLC10A1, GOT1, ACAT2 FDPS 2703/4885CA1 3533/4885CA2 2303/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 FDPS 2093/4885CA1 4394/4885CA2 4130/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 FDPS 2033/4885CA1 3703/4885CA2 3380/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.